(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide

C16H26N4O2 — CID 75538776

IUPAC(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide
SMILESO=C(/C=N/O)NCCCNCCCNCCc1ccccc1
InChIInChI=1S/C16H26N4O2/c21-16(14-20-22)19-12-5-11-17-9-4-10-18-13-8-15-6-2-1-3-7-15/h1-3,6-7,14,17-18,22H,4-5,8-13H2,(H,19,21)/b20-14+
InChIKeyBZCHMOXBKAJENC-XSFVSMFZSA-N
MW306.41 g/mol
LogP0.76
Rot. Bonds12

About (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide

(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide (PubChem CID 75538776) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide
PubChem CID75538776
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide
SMILESO=C(/C=N/O)NCCCNCCCNCCc1ccccc1
InChIInChI=1S/C16H26N4O2/c21-16(14-20-22)19-12-5-11-17-9-4-10-18-13-8-15-6-2-1-3-7-15/h1-3,6-7,14,17-18,22H,4-5,8-13H2,(H,19,21)/b20-14+
InChIKeyBZCHMOXBKAJENC-XSFVSMFZSA-N
XLogP0.76
TPSA85.75 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-bromo-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607477
N-[3-[3-[3-(dimethylamino)propylamino]propylamino]propyl]-2-hydroxyiminoacetamide
CID 171151800
benzyl-[2-[[(2E)-2-hydroxyiminoacetyl]amino]ethyl]-dimethylazanium iodide
CID 17190134
4-tert-butyl-N-[3-(2-phenylethylamino)propyl]benzamide
CID 118607429
N-[3-(2-phenylethylcarbamoylamino)propyl]formamide
CID 108888088
N,N'-bis(2-phenylethyl)octane-1,8-diamine;dihydrobromide
CID 3029610
3-phenyl-N-(2-phenylethyl)propan-1-amine;hydrochloride
CID 54603294
N,N'-bis(2-phenylethyl)heptane-1,7-diamine;dihydrobromide
CID 3028511
N'-[3-(2-phenylethylamino)propyl]propane-1,3-diamine
CID 57144095
(2Z)-2-hydroxyimino-N-[3-(methylamino)propyl]acetamide
CID 6407354
2-[6-(2-phenylethylamino)hexylamino]ethanol
CID 22104030
ethane;N-(3-phenylpropyl)-3-(3-phenylpropylamino)propanamide
CID 142168077

Frequently Asked Questions

What is the IUPAC name of (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide?
The IUPAC name of (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide (CID 75538776) is (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide.
What is the SMILES notation for (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide?
The canonical SMILES for (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide is O=C(/C=N/O)NCCCNCCCNCCc1ccccc1.
What is the InChIKey of (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide?
The InChIKey is BZCHMOXBKAJENC-XSFVSMFZSA-N. The full InChI is InChI=1S/C16H26N4O2/c21-16(14-20-22)19-12-5-11-17-9-4-10-18-13-8-15-6-2-1-3-7-15/h1-3,6-7,14,17-18,22H,4-5,8-13H2,(H,19,21)/b20-14+.
What are the key properties of (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide?
(2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide has a molecular weight of 306.41 g/mol, XLogP of 0.76, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-N-[3-[3-(2-phenylethylamino)propylamino]propyl]acetamide is sourced from PubChem (CID 75538776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).